* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    160    258     477
    1     0 S   NP   _N1_     1    28.71903    98.03788   -22.93981
    2     1 S   H    _HN1     2     1.02827    48.69746   167.33505
    3     1 S   H    _H1_     3     1.02792   103.82028   -90.84962
    4     1 S   H    _H2_     4     1.02948    62.34520    12.88326
    5     1 S   CT   _CA1     5     1.50124   143.34151   100.34185
    6     5 S   HC   _HA1     6     1.09574   105.17054   106.99413
    7     5 S   CO3  _C1_     7     1.53774   112.42486   -13.22183
    8     7 S   O2Z  _O11     8     1.26377   115.00758   -43.34202
    9     7 S   O2Z  _O12     9     1.26234   114.94271   135.65505
   10     5 S   CT   _CB1    10     1.53060   107.40102  -135.04707
   11    10 S   HC   HB11    11     1.09840   109.34628   -49.42516
   12    10 S   HC   HB12    12     1.09811   110.47456    67.17139
   13    10 S   CT   _CG1    13     1.53015   112.62956  -170.35792
   14    13 S   HC   HG11    14     1.09572   110.71594   -66.83311
   15    13 S   HC   HG12    15     1.09669   109.71434    52.41410
   16    13 S   C    _CD1    16     1.51814   112.01490   172.89472
   17    16 S   O    _OE1    17     1.22756   123.18566    11.43608
   18    16 S   N    _N2_    18     1.38629   111.81434  -168.60957
   19    18 S   H    _HN2    19     1.01584   119.05947     0.96429
   20    18 S   CT1  _CA2    20     1.46232   123.41082   176.93305
   21    20 S   HC   _HA2    21     1.09744   109.25070     7.53312
   22    20 S   C    _C2_    22     1.53692   109.06088  -107.99824
   23    22 S   O    _O2_    23     1.23091   122.20303  -150.49317
   24    20 S   CT   _CB2    32     1.53401   111.56602   129.44351
   25    24 S   HC   HB21    33     1.09388   109.67941    57.05491
   26    24 S   HC   HB22    34     1.09450   109.95507   175.57783
   27    22 S   N    _N3_    24     1.38309   113.93850    37.05316
   28    27 S   H    _HN3    25     1.01539   119.60172    -3.31576
   29    24 S   S    _SG2    35     1.83035   111.21069   -64.33979
   30    27 S   CT   _CA3    26     1.45274   123.27389   177.17395
   31    30 S   HC   HA31    27     1.09548   107.51902   -64.77833
   32    30 S   HC   HA32    28     1.09557   107.99043    51.67650
   33    29 S   CT   _C20    36     1.88995   100.33708  -171.45302
   34    33 S   HC   _H7_    37     1.09956   107.29904    22.24443
   35    30 S   CO3  _C3_    29     1.52973   114.05302   173.69413
   36    35 S   O2Z  _O31    30     1.26383   116.09210     0.22728
   37    35 S   O2Z  _O32    31     1.26428   114.41165  -179.72094
   38    33 S   CT   _C19    38     1.57924   108.70358   -96.39881
   39    38 S   OM   _O37    39     1.32983   108.87927    65.74605
   40    38 S   HC   _H6_    40     1.09749   107.78931   -62.76041
   41    33 S   CT   _C12    70     1.59477   111.78986   139.85560
   42    38 S   CT   _C18    41     1.55336   111.25037  -178.48806
   43    42 S   HC   _H5_    42     1.10213   108.15362   -74.09269
   44    50 S   CT   _C13    71     1.52852   113.21294   -40.21088
   45    44 S   HC   _H3_    72     1.10053   109.12703   -78.04620
   46    41 S   CT   _C22    73     1.56643   107.87747    53.83019
   47    46 S   HC   _H22    74     1.09174   112.89997    52.34067
   48    46 S   HC   _H23    75     1.09578   111.44439   -68.51830
   49    46 S   HC   _H24    76     1.08907   114.69655   173.30455
   50    42 S   CT   _C17    43     1.53557   117.35189    45.82651
   51    42 S   OH   _O38    81     1.43642   110.18432   171.31592
   52    51 S   HO   _H18    82     0.97271   107.31193   -55.46401
   53    50 S   CO4  _C16    44     1.51675   118.75401    76.00883
   54    53 S   O    _O36    45     1.22025   126.98142    30.69145
   55    50 S   CT   _C21    77     1.55479   107.30561  -164.80370
   56    55 S   HC   _H19    78     1.09573   110.88247    67.36774
   57    55 S   HC   _H20    79     1.09643   111.07082   -52.52177
   58    55 S   HC   _H21    80     1.09483   113.35190  -171.32174
   59    53 S   OS   _O35    46     1.38053   108.79616  -151.28720
   60    59 S   CT   _C14    47     1.44333   109.74742     4.38629
   61    60 S   HC   _H4_    48     1.09694   107.05271   -95.77426
   62    60 S   CT   _C15    49     1.53190   111.32787   146.86642
   63    62 S   HC   _H16    50     1.09737   105.64746   106.52689
   64    62 S   HC   _H17    51     1.09623   111.30150    -6.59969
   65    62 S   CM   _C8_    52     1.51495   115.14489  -132.37558
   66    65 S   CM   _C9_    53     1.47262   118.29780    29.57142
   67    66 S   CM   _C10    54     1.34246   118.03696  -168.94545
   68    67 S   HC   _H15    55     1.07911   123.29979   174.88887
   69    67 S   CO4  _C11    56     1.47078   122.58686    -6.01493
   70    69 S   O    _O33    57     1.22622   120.84255  -179.85463
   71    69 S   OS   _O34    58     1.35864   116.75441    -1.06716
   72    65 S   CM   _C7_    59     1.35037   122.52178  -147.69154
   73    72 S   CT   _C5_    60     1.51874   126.06365    -5.69216
   74    73 S   HC   _H11    61     1.09522   110.37365   -12.13971
   75    73 S   CT   _C4_    62     1.52930   110.57116   107.03067
   76    75 S   HC   _H8_    63     1.09576   111.68537    62.46485
   77    75 S   HC   _H9_    64     1.09566   110.96815   -58.02082
   78    75 S   HC   _H10    65     1.09539   110.63359  -177.49376
   79    73 S   CT   _C6_    66     1.53243   111.46847  -129.53799
   80    79 S   HC   _H12    67     1.09562   111.93246   -65.04679
   81    79 S   HC   _H13    68     1.09557   110.47173   175.13192
   82    79 S   HC   _H14    69     1.09562   110.93209    55.74867
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  13   6   5  20  14   6  22   9   8   3   2
   1  13   3   1   9   3   5   2   1   1   6   7   4   8   4   3
  10   7   5   3   4   2   5  10   9   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    60    65    66    67    41    44    45    46    47    48    49    51  
   38    39    40    42    66    41    44    46  
   36    37  
   37  
    0  
   39    40    42    43    50    53    66    41    44    46    55    51    52  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    55    42    50    53    59    60    61    62    65    66    67    68    69    72  
   43    50    53    54    59    60    44    45    55    56    57    58    51    52  
   50    53    44    55    51    52  
   45    46    47    48    49    55    56    57    58    51    50    53    54    59    60    61    62    63    64    65    66    67  
   46    55    50    53    59    60    61    62    66  
   47    48    49    50    60    65    66    67  
   48    49    66  
   49    66  
   66  
   53    54    59    60    61    62    66    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64    65    66    72  
   62    63    64    65  
   63    64    65    66    67    71    72    73  
   64    65    66    72  
   65    66    72  
   66    67    68    69    71    72    73    74    75    79  
   67    68    69    70    71    72    73  
   68    69    70    71    72  
   69    70    71  
   70    71    72    73  
   71    72  
   72    73    74    75    79  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   268.000  1.529
   42    51   320.000  1.410
   50    53   317.000  1.522
   50    44   268.000  1.529
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    44   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   380.000  1.444
   65    72   549.000  1.340
   66    67   549.000  1.340
   66    41   317.000  1.510
   67    68   340.000  1.080
   67    69   320.000  1.462
   69    70   570.000  1.229
   69    71   214.000  1.327
   71    72   440.000  1.360
   72    73   317.000  1.510
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    79   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   41    44   268.000  1.529
   41    46   268.000  1.529
   44    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    66    70.00000  112.02700
   33    41    44    58.35000  112.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    58.35000  112.70000
   38    42    51    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    50    53    63.00000  111.10000
   42    50    44    58.35000  112.70000
   42    50    55    58.35000  112.70000
   42    51    52    55.00000  108.50000
   50    42    43    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    59    81.00000  111.40000
   50    44    60    58.35000  112.70000
   50    44    41    58.35000  112.70000
   50    44    45    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    44    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    70.00000  112.02700
   60    44    41    58.35000  112.70000
   60    44    45    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    65    66    70.00000  124.00000
   62    65    72    70.00000  124.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    70.00000  123.01800
   65    66    41    70.00000  124.00000
   65    72    71    80.00000  120.01400
   65    72    73    70.00000  124.00000
   66    67    68    35.00000  120.00000
   66    67    69    65.00000  118.96000
   66    41    44    70.00000  112.02700
   66    41    46    70.00000  112.02700
   67    69    70    80.00000  123.72100
   67    69    71    90.00000  111.29400
   69    67    68    40.00000  117.72500
   69    71    72    90.00000  114.22900
   71    69    70    83.00000  123.40000
   71    72    73    85.00000  112.85300
   72    65    66    70.00000  123.01800
   72    73    74    35.00000  109.50000
   72    73    75    70.00000  112.02700
   72    73    79    70.00000  112.02700
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    82    37.50000  110.70000
   75    73    74    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    67    70.00000  124.00000
   41    44    45    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    50    53    63.00000  111.10000
   44    60    61    37.50000  110.70000
   44    60    62    58.35000  112.70000
   46    41    44    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   55    50    53    63.00000  111.10000
   55    50    44    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    66   0.56750  1.0 1.0
   29    33    41    66  -0.07550 -1.0 2.0
   29    33    41    66   0.20000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.56750  1.0 1.0
   33    38    42    50  -0.07550 -1.0 2.0
   33    38    42    50   0.20000  1.0 3.0
   33    38    42    51   0.86500  1.0 1.0
   33    38    42    51  -0.17500 -1.0 2.0
   33    38    42    51   0.20800  1.0 3.0
   33    41   -44    50   0.56750  1.0 1.0
   33    41   -44    50  -0.07550 -1.0 2.0
   33    41   -44    50   0.20000  1.0 3.0
   33    41    44    60   0.56750  1.0 1.0
   33    41    44    60  -0.07550 -1.0 2.0
   33    41    44    60   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    66   0.34400  1.0 1.0
   38    33    41    66   0.09450 -1.0 2.0
   38    33    41    66   0.11100  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    42    50    53  -0.95700  1.0 1.0
   38    42    50    53  -0.18200 -1.0 2.0
   38    42    50    53   0.29450  1.0 3.0
   38    42   -50    44   0.56750  1.0 1.0
   38    42   -50    44  -0.07550 -1.0 2.0
   38    42   -50    44   0.20000  1.0 3.0
   38    42    50    55   0.56750  1.0 1.0
   38    42    50    55  -0.07550 -1.0 2.0
   38    42    50    55   0.20000  1.0 3.0
   38    42    51    52  -0.11600  1.0 1.0
   38    42    51    52  -0.09450 -1.0 2.0
   38    42    51    52   0.21250  1.0 3.0
   39    38    42    43   0.23400  1.0 3.0
   39    38    42    50   0.62750  1.0 1.0
   39    38    42    50  -0.30950 -1.0 2.0
   39    38    42    50   0.27300  1.0 3.0
   39    38    42    51   3.69350  1.0 1.0
   39    38    42    51  -1.82950 -1.0 2.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    53    54   0.30150 -1.0 2.0
   42    50    53    59   0.36750  1.0 3.0
   42    50    44    60   0.56750  1.0 1.0
   42    50    44    60  -0.07550 -1.0 2.0
   42    50    44    60   0.20000  1.0 3.0
   42    50    44    41   0.56750  1.0 1.0
   42    50    44    41  -0.07550 -1.0 2.0
   42    50    44    41   0.20000  1.0 3.0
   42    50    44    45   0.15000  1.0 3.0
   42    50    55    56   0.15000  1.0 3.0
   42    50    55    57   0.15000  1.0 3.0
   42    50    55    58   0.15000  1.0 3.0
   43    42    50    53  -0.11250  1.0 3.0
   43    42    50    44   0.15000  1.0 3.0
   43    42    50    55   0.15000  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   50    42    51    52  -0.11600  1.0 1.0
   50    42    51    52  -0.09450 -1.0 2.0
   50    42    51    52   0.21250  1.0 3.0
   50    53   -59    60   1.63150  1.0 1.0
   50    53   -59    60   2.92000 -1.0 2.0
   53    50   -44    60  -0.95700  1.0 1.0
   53    50   -44    60  -0.18200 -1.0 2.0
   53    50   -44    60   0.29450  1.0 3.0
   53    50    44    41  -0.95700  1.0 1.0
   53    50    44    41  -0.18200 -1.0 2.0
   53    50    44    41   0.29450  1.0 3.0
   53    50    44    45  -0.11250  1.0 3.0
   53    50    55    56  -0.11250  1.0 3.0
   53    50    55    57  -0.11250  1.0 3.0
   53    50    55    58  -0.11250  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   53    59   -60    44  -0.25900  1.0 1.0
   53    59   -60    44  -0.47000 -1.0 2.0
   53    59   -60    44   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.23400  1.0 3.0
   59    60    62    65   0.61850  1.0 1.0
   59    60    62    65  -0.22750 -1.0 2.0
   59    60    62    65   0.15300  1.0 3.0
   59    60   -44    50   0.62750  1.0 1.0
   59    60   -44    50  -0.30950 -1.0 2.0
   59    60   -44    50   0.27300  1.0 3.0
   59    60    44    41   0.62750  1.0 1.0
   59    60    44    41  -0.30950 -1.0 2.0
   59    60    44    41   0.27300  1.0 3.0
   59    60    44    45   0.23400  1.0 3.0
   60    62    65    66   0.98200  1.0 1.0
   60    62    65    66  -0.11900 -1.0 2.0
   60    62    65    66   0.24250  1.0 3.0
   60    62    65    72   0.09850  1.0 1.0
   60    62    65    72   0.15250 -1.0 2.0
   60    62    65    72  -0.50650  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    44    50   0.15000  1.0 3.0
   61    60    44    41   0.15000  1.0 3.0
   61    60    44    45   0.15000  1.0 3.0
   62    60    44    50   0.56750  1.0 1.0
   62    60    44    50  -0.07550 -1.0 2.0
   62    60    44    50   0.20000  1.0 3.0
   62    60    44    41   0.56750  1.0 1.0
   62    60    44    41  -0.07550 -1.0 2.0
   62    60    44    41   0.20000  1.0 3.0
   62    60    44    45   0.15000  1.0 3.0
   62    65    66    67  -0.18600  1.0 3.0
   62    65   -66    41   0.35650  1.0 1.0
   62    65   -66    41   0.31450 -1.0 2.0
   62    65    72    71   7.00000 -1.0 2.0
   62    65    72    73   7.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    72   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    72   0.00000  1.0 1.0
   65    66    67    68   7.00000 -1.0 2.0
   65    66    67    69   7.00000 -1.0 2.0
   65    66    41    33   0.98200  1.0 1.0
   65    66    41    33  -0.11900 -1.0 2.0
   65    66    41    33   0.24250  1.0 3.0
   65    66    41    44   0.98200  1.0 1.0
   65    66    41    44  -0.11900 -1.0 2.0
   65    66    41    44   0.24250  1.0 3.0
   65    66    41    46   0.98200  1.0 1.0
   65    66    41    46  -0.11900 -1.0 2.0
   65    66    41    46   0.24250  1.0 3.0
   65    72    73    74   0.00000  1.0 1.0
   65    72    73    75   0.09850  1.0 1.0
   65    72    73    75   0.15250 -1.0 2.0
   65    72    73    75  -0.50650  1.0 3.0
   65    72    73    79   0.09850  1.0 1.0
   65    72    73    79   0.15250 -1.0 2.0
   65    72    73    79  -0.50650  1.0 3.0
   66    65    72    71   7.00000 -1.0 2.0
   66    65    72    73   7.00000 -1.0 2.0
   66    67    69    70   1.00000 -1.0 2.0
   66    67   -69    71  -0.56150  1.0 1.0
   66    67   -69    71   2.19150 -1.0 2.0
   66    41    44    50   0.34400  1.0 1.0
   66    41    44    50   0.09450 -1.0 2.0
   66    41    44    50   0.11100  1.0 3.0
   66    41   -44    60   0.34400  1.0 1.0
   66    41   -44    60   0.09450 -1.0 2.0
   66    41   -44    60   0.11100  1.0 3.0
   66    41    44    45   0.15000  1.0 3.0
   66    41    46    47   0.15000  1.0 3.0
   66    41    46    48   0.15000  1.0 3.0
   66    41    46    49   0.15000  1.0 3.0
   67    66    41    33   0.09850  1.0 1.0
   67    66    41    33   0.15250 -1.0 2.0
   67    66    41    33  -0.50650  1.0 3.0
   67    66    41    44   0.09850  1.0 1.0
   67    66    41    44   0.15250 -1.0 2.0
   67    66    41    44  -0.50650  1.0 3.0
   67    66    41    46   0.09850  1.0 1.0
   67    66    41    46   0.15250 -1.0 2.0
   67    66    41    46  -0.50650  1.0 3.0
   67    69    71    72   2.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   1.63100 -1.0 2.0
   69    71   -72    65  -1.93650  1.0 1.0
   69    71   -72    65   2.17750 -1.0 2.0
   69    71   -72    65  -0.40250  1.0 3.0
   69    71    72    73   2.00000 -1.0 2.0
   70    69    71    72   3.00000 -1.0 2.0
   71    72    73    74   0.00000  1.0 1.0
   71    72    73    75   0.09700  1.0 1.0
   71    72    73    75   0.15600 -1.0 2.0
   71    72    73    75  -0.50800  1.0 3.0
   71    72    73    79   0.09700  1.0 1.0
   71    72    73    79   0.15600 -1.0 2.0
   71    72    73    79  -0.50800  1.0 3.0
   72    65   -66    67   0.28850  1.0 1.0
   72    65   -66    67   2.61350 -1.0 2.0
   72    65   -66    67   0.78400  1.0 3.0
   72    65    66    41  -0.18600  1.0 3.0
   72    73    75    76   0.15000  1.0 3.0
   72    73    75    77   0.15000  1.0 3.0
   72    73    75    78   0.15000  1.0 3.0
   72    73    79    80   0.15000  1.0 3.0
   72    73    79    81   0.15000  1.0 3.0
   72    73    79    82   0.15000  1.0 3.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    82   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    82   0.15000  1.0 3.0
   79    73    75    76   0.15000  1.0 3.0
   79    73    75    77   0.15000  1.0 3.0
   79    73    75    78   0.15000  1.0 3.0
   41    33    38    39   0.62750  1.0 1.0
   41    33    38    39  -0.30950 -1.0 2.0
   41    33    38    39   0.27300  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    42   0.56750  1.0 1.0
   41    33   -38    42  -0.07550 -1.0 2.0
   41    33   -38    42   0.20000  1.0 3.0
   41    66    67    68   7.00000 -1.0 2.0
   41    66    67    69   7.00000 -1.0 2.0
   44    50    53    54   0.30150 -1.0 2.0
   44    50   -53    59   0.36750  1.0 3.0
   44    50    55    56   0.15000  1.0 3.0
   44    50    55    57   0.15000  1.0 3.0
   44    50    55    58   0.15000  1.0 3.0
   44    60    62    63   0.15000  1.0 3.0
   44    60    62    64   0.15000  1.0 3.0
   44    60   -62    65   0.34400  1.0 1.0
   44    60   -62    65   0.09450 -1.0 2.0
   44    60   -62    65   0.11100  1.0 3.0
   44    41    46    47   0.15000  1.0 3.0
   44    41    46    48   0.15000  1.0 3.0
   44    41    46    49   0.15000  1.0 3.0
   46    41    44    50   0.56750  1.0 1.0
   46    41    44    50  -0.07550 -1.0 2.0
   46    41    44    50   0.20000  1.0 3.0
   46    41    44    60   0.56750  1.0 1.0
   46    41    44    60  -0.07550 -1.0 2.0
   46    41    44    60   0.20000  1.0 3.0
   46    41    44    45   0.15000  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    59   0.36750  1.0 3.0
   55    50    44    60   0.56750  1.0 1.0
   55    50    44    60  -0.07550 -1.0 2.0
   55    50    44    60   0.20000  1.0 3.0
   55    50    44    41   0.56750  1.0 1.0
   55    50    44    41  -0.07550 -1.0 2.0
   55    50    44    41   0.20000  1.0 3.0
   55    50    44    45   0.15000  1.0 3.0
   51    42    50    53  -0.09450  1.0 1.0
   51    42    50    53  -1.12950 -1.0 2.0
   51    42    50    53   0.54000  1.0 3.0
   51    42    50    44   0.86500  1.0 1.0
   51    42    50    44  -0.17500 -1.0 2.0
   51    42    50    44   0.20800  1.0 3.0
   51    42    50    55   0.86500  1.0 1.0
   51    42    50    55  -0.17500 -1.0 2.0
   51    42    50    55   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   50    59    53    54  10.50000 -1.0 2.0
   62    66    65    72   1.10000 -1.0 2.0
   65    41    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   71    73    72    65   1.10000 -1.0 2.0
END
